#PDB cf residue atom bb_p bb_s bb_f chi_p chi_s HB-D HB-I REF pred #--------------------------------------------------------------------------------------------- 1nks s LYS 2 N 0.00 4.17 -0.13 0.03 2.20 -0.73 -4.74 119.74 120.54 1nks s LYS 2 Ca 0.00 2.41 -0.12 0.00 -0.36 0.00 0.00 55.97 57.90 1nks s LYS 2 Cb 0.00 -3.78 -0.05 0.00 -1.51 0.00 0.00 37.83 32.49 1nks s LYS 2 CO 0.00 -0.82 0.27 0.42 -0.36 0.00 0.00 175.35 174.86 1nks s ILE 3 N 3.28 5.31 -0.03 5.43 1.01 -1.26 -1.10 121.20 133.84 1nks s ILE 3 Ca 0.78 0.50 0.03 0.00 0.00 0.00 0.00 60.65 61.96 1nks s ILE 3 Cb -0.40 -3.59 0.00 0.00 0.01 0.00 0.00 42.46 38.48 1nks s ILE 3 CO 0.34 0.47 -0.11 -0.83 0.00 0.00 0.00 174.94 174.81 1nks s GLY 4 N -0.09 0.63 -0.23 6.18 0.00 -0.24 -1.44 107.32 112.12 1nks s GLY 4 Ca 0.17 -0.42 -0.07 0.00 0.00 0.00 0.00 44.72 44.40 1nks s GLY 4 CO 0.05 -0.15 0.05 -0.42 0.00 0.00 0.00 173.10 172.63 1nks s ILE 5 N 0.16 4.21 -0.23 0.90 1.01 -0.33 -0.87 121.20 126.05 1nks s ILE 5 Ca -0.03 -0.21 -0.06 0.00 0.00 0.00 0.00 60.65 60.35 1nks s ILE 5 Cb -0.09 -2.95 -0.02 0.00 0.01 0.00 0.00 42.46 39.40 1nks s ILE 5 CO 0.01 0.37 0.03 -0.69 0.00 0.00 0.00 174.94 174.66 1nks s VAL 6 N 1.43 4.00 0.27 2.92 1.01 0.43 0.20 120.40 130.66 1nks s VAL 6 Ca 0.05 -0.28 0.08 0.00 0.00 0.00 0.00 61.98 61.83 1nks s VAL 6 Cb -0.15 -2.85 -0.05 0.00 0.00 0.00 0.00 36.38 33.33 1nks s VAL 6 CO 0.03 0.38 -0.11 0.42 0.00 0.00 0.00 175.10 175.82 1nks s THR 7 N 1.49 1.87 -0.28 3.92 -4.23 -0.58 -1.45 115.64 116.38 1nks s THR 7 Ca 0.06 -2.20 -0.28 0.00 -1.18 0.00 0.00 61.69 58.08 1nks s THR 7 Cb -0.15 -2.35 0.19 0.00 1.34 0.00 0.00 72.50 71.53 1nks s THR 7 CO 0.01 -0.38 1.34 -0.83 -0.54 0.00 0.00 174.62 174.23 1nks s GLY 8 N -3.44 0.11 0.49 3.99 0.00 -1.25 -0.85 107.32 106.37 1nks s GLY 8 Ca 0.28 2.90 -0.18 0.00 0.00 0.00 0.00 44.72 47.73 1nks s GLY 8 CO 0.12 1.27 0.98 -0.26 0.00 0.00 0.00 173.10 175.21 1nks s ILE 9 N -0.80 4.41 0.15 0.90 -4.36 -1.26 -4.81 121.20 115.43 1nks s ILE 9 Ca 0.08 1.27 -0.34 0.00 -0.26 0.00 0.00 60.65 61.40 1nks s ILE 9 Cb -0.02 -3.65 -0.15 0.00 1.25 0.00 0.00 42.46 39.89 1nks s ILE 9 CO -0.09 -0.55 1.32 -2.65 0.24 0.00 0.00 174.94 173.22 1nks n PRO 10 N -1.30 1.45 -0.52 0.37 -0.02 -1.26 -2.19 135.00 131.53 1nks n PRO 10 Ca 0.07 0.52 0.00 0.00 -2.02 0.00 0.00 63.50 62.07 1nks n PRO 10 Cb 0.54 -2.13 0.00 0.00 -0.02 0.00 0.00 33.50 31.89 1nks n PRO 10 CO 0.00 0.00 0.00 0.41 1.98 0.00 0.00 175.50 177.89 1nks n GLY 11 N 2.41 0.76 0.14 -1.23 0.00 -1.26 -4.93 105.19 101.07 1nks n GLY 11 Ca 0.16 0.00 -0.01 0.00 0.00 0.00 0.00 46.02 46.17 1nks n GLY 11 CO 0.00 0.00 0.00 -0.39 0.00 0.00 0.00 173.32 172.93 1nks h VAL 12 N 0.00 1.37 0.00 1.61 -1.51 -1.76 -3.43 116.25 112.53 1nks h VAL 12 Ca 0.00 -2.17 0.00 0.00 -1.23 0.00 0.00 66.70 63.30 1nks h VAL 12 Cb 0.00 2.20 0.00 0.00 -2.13 0.00 0.00 31.29 31.36 1nks h VAL 12 CO 0.00 0.61 0.00 0.61 -1.23 0.00 0.00 177.57 177.56 1nks n GLY 13 N 0.39 1.82 0.20 5.19 0.00 -1.26 -4.90 105.19 106.62 1nks n GLY 13 Ca -0.01 0.00 -0.02 0.00 0.00 0.00 0.00 46.02 45.99 1nks n GLY 13 CO 0.00 0.00 0.00 1.70 0.00 0.00 0.00 173.32 175.02 1nks h LYS 14 N 0.00 0.09 0.00 1.61 3.64 -1.90 0.59 116.57 120.59 1nks h LYS 14 Ca 0.00 -0.01 -0.16 0.00 -1.27 0.00 0.00 60.65 59.22 1nks h LYS 14 Cb 0.00 -0.02 -0.02 0.00 -0.41 0.00 0.00 32.23 31.78 1nks h LYS 14 CO 0.00 0.06 -0.75 0.66 -2.27 0.00 0.00 179.45 177.15 1nks h SER 15 N 0.09 0.00 0.01 4.20 4.64 -1.98 -1.12 113.55 119.39 1nks h SER 15 Ca 0.25 0.00 -0.00 0.00 -0.47 0.00 0.00 61.79 61.57 1nks h SER 15 Cb 0.37 0.00 0.00 0.00 -0.31 0.00 0.00 62.40 62.46 1nks h SER 15 CO -0.43 0.75 -0.01 0.74 -0.87 0.00 0.00 176.83 177.01 1nks h THR 16 N 0.00 1.13 -0.09 2.95 2.02 -1.90 -1.05 112.91 115.97 1nks h THR 16 Ca -0.01 -0.44 -0.03 0.00 0.77 0.00 0.00 66.41 66.70 1nks h THR 16 Cb 1.50 1.43 -0.01 0.00 -1.74 0.00 0.00 68.15 69.33 1nks h THR 16 CO 0.10 0.11 -0.09 0.58 0.37 0.00 0.00 175.52 176.59 1nks h VAL 17 N -0.21 1.12 0.00 3.16 2.07 -0.79 -2.22 116.25 119.39 1nks h VAL 17 Ca -0.00 -0.54 -0.06 0.00 0.82 0.00 0.00 66.70 66.92 1nks h VAL 17 Cb 0.20 1.16 -0.01 0.00 -1.52 0.00 0.00 31.29 31.12 1nks h VAL 17 CO 0.00 0.16 -0.30 -0.07 0.02 0.00 0.00 177.57 177.38 1nks h LEU 18 N 0.13 0.00 0.20 2.57 3.38 -0.91 -2.20 115.31 118.48 1nks h LEU 18 Ca 0.03 0.00 -0.01 0.00 0.09 0.00 0.00 57.88 57.99 1nks h LEU 18 Cb 0.25 0.00 0.00 0.00 0.09 0.00 0.00 40.66 41.00 1nks h LEU 18 CO 0.01 0.30 -0.10 0.00 0.09 0.00 0.00 178.44 178.75 1nks h ALA 19 N 1.70 -0.27 -1.01 1.53 0.00 -0.61 -1.67 119.26 118.94 1nks h ALA 19 Ca -0.00 -0.17 0.02 0.00 0.00 0.00 0.00 54.91 54.76 1nks h ALA 19 Cb 1.17 0.10 -0.05 0.00 0.00 0.00 0.00 17.79 19.02 1nks h ALA 19 CO 0.04 -0.50 0.67 -0.22 0.00 0.00 0.00 179.25 179.24 1nks h LYS 20 N -0.57 1.31 -0.54 0.00 1.63 -1.42 -0.91 116.57 116.08 1nks h LYS 20 Ca -0.03 -0.08 0.04 0.00 -0.85 0.00 0.00 60.65 59.73 1nks h LYS 20 Cb 0.42 -0.30 -0.04 0.00 -0.60 0.00 0.00 32.23 31.71 1nks h LYS 20 CO 0.04 0.87 0.29 0.28 -3.45 0.00 0.00 179.45 177.48 1nks h VAL 21 N 1.35 1.00 0.10 2.00 2.07 -1.29 -1.19 116.25 120.28 1nks h VAL 21 Ca 0.38 -0.20 -0.00 0.00 0.82 0.00 0.00 66.70 67.69 1nks h VAL 21 Cb -0.13 0.37 0.00 0.00 -1.52 0.00 0.00 31.29 30.02 1nks h VAL 21 CO -0.09 0.10 -0.05 0.50 0.02 0.00 0.00 177.57 178.06 1nks h LYS 22 N 0.57 -0.12 0.03 1.57 3.64 -0.53 -1.84 116.57 119.89 1nks h LYS 22 Ca 0.23 0.01 0.01 0.00 -1.27 0.00 0.00 60.65 59.63 1nks h LYS 22 Cb 0.10 0.03 -0.04 0.00 -0.41 0.00 0.00 32.23 31.90 1nks h LYS 22 CO -0.14 0.01 -0.43 1.49 -2.27 0.00 0.00 179.45 178.11 1nks h GLU 23 N -0.23 -0.55 -0.83 1.90 4.81 -0.97 -0.09 114.58 118.63 1nks h GLU 23 Ca -0.01 0.04 0.07 0.00 -0.13 0.00 0.00 59.36 59.32 1nks h GLU 23 Cb 0.19 0.12 -0.05 0.00 0.63 0.00 0.00 28.75 29.64 1nks h GLU 23 CO 0.02 -0.36 0.54 0.82 -0.73 0.00 0.00 179.01 179.30 1nks h ILE 24 N -0.57 1.03 0.02 2.32 2.04 -1.24 -1.15 117.51 119.97 1nks h ILE 24 Ca 0.00 -0.31 -0.21 0.00 1.00 0.00 0.00 64.86 65.35 1nks h ILE 24 Cb 0.59 0.06 -0.01 0.00 -0.74 0.00 0.00 36.82 36.72 1nks h ILE 24 CO -0.27 0.16 -0.95 -0.07 0.00 0.00 0.00 178.15 177.02 1nks h LEU 25 N 0.89 0.21 0.13 1.44 3.38 -1.03 -2.83 115.31 117.51 1nks h LEU 25 Ca 0.36 -0.19 -0.01 0.00 0.09 0.00 0.00 57.88 58.14 1nks h LEU 25 Cb 0.26 -0.07 0.00 0.00 0.09 0.00 0.00 40.66 40.94 1nks h LEU 25 CO -0.13 1.04 -0.06 0.44 0.09 0.00 0.00 178.44 179.81 1nks h ASP 26 N 0.07 -0.15 -0.12 -0.43 3.32 -0.20 -0.48 116.42 118.43 1nks h ASP 26 Ca -0.05 -0.09 0.04 0.00 0.02 0.00 0.00 57.03 56.95 1nks h ASP 26 Cb 1.62 0.04 -0.00 0.00 0.22 0.00 0.00 39.33 41.20 1nks h ASP 26 CO 0.14 -0.00 0.23 0.78 -1.72 0.00 0.00 179.24 178.67 1nks h ASN 27 N -0.28 0.00 -0.02 6.45 2.35 -1.25 0.18 115.58 123.00 1nks h ASN 27 Ca -0.02 0.00 0.00 0.00 -0.55 0.00 0.00 56.30 55.73 1nks h ASN 27 Cb 0.23 0.00 0.00 0.00 0.05 0.00 0.00 38.32 38.60 1nks h ASN 27 CO 0.03 0.00 -0.17 0.00 -1.65 0.00 0.00 177.43 175.64 1nks n GLN 28 N -3.39 1.87 -3.46 0.81 6.02 -1.03 -4.98 117.38 113.22 1nks n GLN 28 Ca 0.00 -1.55 -0.20 0.00 -0.01 0.00 0.00 57.00 55.24 1nks n GLN 28 Cb 0.33 -1.45 0.08 0.00 1.02 0.00 0.00 30.24 30.22 1nks n GLN 28 CO 0.00 0.00 0.00 0.41 -1.01 0.00 0.00 177.06 176.46 1nks n GLY 29 N 1.34 -0.40 3.64 1.08 0.00 0.63 -5.02 105.19 106.46 1nks n GLY 29 Ca 0.12 0.15 -0.35 0.00 0.00 0.00 0.00 46.02 45.94 1nks n GLY 29 CO 0.00 0.00 0.00 -0.42 0.00 0.00 0.00 173.32 172.90 1nks s ILE 30 N -3.31 4.88 0.10 -0.61 1.01 -0.25 -5.03 121.20 117.98 1nks s ILE 30 Ca 0.35 0.00 -0.31 0.00 0.00 0.00 0.00 60.65 60.69 1nks s ILE 30 Cb -0.15 -3.21 -0.09 0.00 0.01 0.00 0.00 42.46 39.02 1nks s ILE 30 CO 0.68 0.44 1.57 0.21 0.00 0.00 0.00 174.94 177.85 1nks s ASN 31 N 0.47 6.65 -0.11 3.58 2.47 -1.26 -4.53 114.94 122.21 1nks s ASN 31 Ca 0.04 2.47 -0.09 0.00 0.42 0.00 0.00 52.86 55.70 1nks s ASN 31 Cb -0.12 -2.58 0.03 0.00 -1.45 0.00 0.00 41.25 37.13 1nks s ASN 31 CO 0.00 -0.82 0.28 0.54 -3.72 0.00 0.00 177.10 173.38 1nks s ASN 32 N 1.80 -0.30 -0.03 -4.21 2.20 -1.26 -1.21 114.94 111.93 1nks s ASN 32 Ca 0.71 0.58 0.07 0.00 -0.94 0.00 0.00 52.86 53.27 1nks s ASN 32 Cb -0.40 0.56 -0.02 0.00 -2.00 0.00 0.00 41.25 39.39 1nks s ASN 32 CO 0.31 -0.11 -0.23 -0.75 -2.94 0.00 0.00 177.10 173.38 1nks s LYS 33 N 0.36 2.26 -0.29 3.55 2.20 -0.52 -5.01 119.74 122.29 1nks s LYS 33 Ca -0.02 -0.87 0.02 0.00 -0.36 0.00 0.00 55.97 54.75 1nks s LYS 33 Cb -0.03 -2.14 0.08 0.00 -1.51 0.00 0.00 37.83 34.23 1nks s LYS 33 CO -0.01 0.55 -0.01 0.42 -0.36 0.00 0.00 175.35 175.94 1nks s ILE 34 N -0.58 1.89 -0.12 5.43 1.01 -1.26 -1.32 121.20 126.25 1nks s ILE 34 Ca 0.09 -1.76 -0.05 0.00 0.00 0.00 0.00 60.65 58.92 1nks s ILE 34 Cb -0.11 -2.23 -0.04 0.00 0.01 0.00 0.00 42.46 40.10 1nks s ILE 34 CO -0.00 -0.34 0.08 -0.63 0.00 0.00 0.00 174.94 174.05 1nks s ILE 35 N 1.17 5.01 -0.23 2.92 1.01 -0.67 -4.97 121.20 125.42 1nks s ILE 35 Ca 0.01 0.02 -0.07 0.00 0.00 0.00 0.00 60.65 60.62 1nks s ILE 35 Cb -0.19 -3.17 -0.03 0.00 0.01 0.00 0.00 42.46 39.08 1nks s ILE 35 CO -0.09 0.59 0.05 0.21 0.00 0.00 0.00 174.94 175.71 1nks s ASN 36 N -0.79 5.10 0.19 3.58 3.84 -1.26 0.21 114.94 125.81 1nks s ASN 36 Ca 0.13 -0.19 -0.12 0.00 0.21 0.00 0.00 52.86 52.89 1nks s ASN 36 Cb -0.12 -1.91 0.21 0.00 -0.55 0.00 0.00 41.25 38.89 1nks s ASN 36 CO 0.03 -0.00 1.72 0.22 -2.79 0.00 0.00 177.10 176.28 1nks h TYR 37 N 7.98 0.21 -0.78 0.43 5.03 -1.45 -2.55 116.97 125.85 1nks h TYR 37 Ca -0.38 0.03 0.17 0.00 2.58 0.00 0.00 58.73 61.13 1nks h TYR 37 Cb 1.17 -0.02 -0.11 0.00 1.55 0.00 0.00 36.73 39.33 1nks h TYR 37 CO 0.65 0.02 0.24 0.78 -1.32 0.00 0.00 178.16 178.52 1nks h GLY 38 N 0.27 1.16 1.05 1.82 0.00 -1.95 -1.44 103.07 103.98 1nks h GLY 38 Ca 0.26 -0.08 0.00 0.00 0.00 0.00 0.00 47.33 47.52 1nks h GLY 38 CO -0.32 -0.20 0.61 -0.55 0.00 0.00 0.00 176.54 176.08 1nks h ASP 39 N 0.32 1.12 0.51 0.19 3.32 -1.84 0.21 116.42 120.24 1nks h ASP 39 Ca 0.45 -0.04 -0.09 0.00 0.02 0.00 0.00 57.03 57.36 1nks h ASP 39 Cb 0.78 -0.28 -0.01 0.00 0.22 0.00 0.00 39.33 40.04 1nks h ASP 39 CO -0.51 0.83 -0.44 -0.26 -1.72 0.00 0.00 179.24 177.14 1nks h PHE 40 N 1.30 0.00 -0.19 4.55 -1.00 -1.32 -2.49 116.94 117.79 1nks h PHE 40 Ca 0.35 0.00 -0.20 0.00 2.81 0.00 0.00 57.97 60.92 1nks h PHE 40 Cb -0.11 0.00 0.01 0.00 3.61 0.00 0.00 35.95 39.45 1nks h PHE 40 CO 0.00 0.44 -0.68 0.52 -1.61 0.00 0.00 178.31 176.98 1nks h MET 41 N 0.00 0.79 -0.17 1.51 2.86 -0.51 -3.25 114.93 116.16 1nks h MET 41 Ca -0.00 -0.60 0.03 0.00 -2.06 0.00 0.00 59.70 57.07 1nks h MET 41 Cb 0.81 0.11 -0.03 0.00 0.06 0.00 0.00 31.60 32.55 1nks h MET 41 CO 0.06 1.22 -0.04 1.25 1.06 0.00 0.00 176.91 180.45 1nks h LEU 42 N 0.53 -0.16 -0.59 1.22 5.85 -0.84 -0.23 115.31 121.10 1nks h LEU 42 Ca -0.03 0.05 0.12 0.00 0.84 0.00 0.00 57.88 58.86 1nks h LEU 42 Cb 1.30 0.10 -0.10 0.00 0.37 0.00 0.00 40.66 42.34 1nks h LEU 42 CO 0.14 -0.06 0.01 0.00 -0.34 0.00 0.00 178.44 178.19 1nks h ALA 43 N 1.17 0.58 -0.00 1.25 0.00 -1.51 -0.01 119.26 120.74 1nks h ALA 43 Ca 0.08 0.18 -0.16 0.00 0.00 0.00 0.00 54.91 55.01 1nks h ALA 43 Cb 0.12 0.31 -0.02 0.00 0.00 0.00 0.00 17.79 18.20 1nks h ALA 43 CO -0.17 -0.39 -0.73 1.15 0.00 0.00 0.00 179.25 179.11 1nks h THR 44 N 0.12 1.51 -0.50 0.00 2.02 -1.51 -2.72 112.91 111.84 1nks h THR 44 Ca 0.31 -2.48 -0.06 0.00 0.77 0.00 0.00 66.41 64.96 1nks h THR 44 Cb 0.49 2.34 -0.02 0.00 -1.74 0.00 0.00 68.15 69.22 1nks h THR 44 CO -0.50 0.71 0.10 0.00 0.37 0.00 0.00 175.52 176.20 1nks h ALA 45 N 1.24 0.66 -0.16 6.16 0.00 0.80 -1.77 119.26 126.20 1nks h ALA 45 Ca -0.01 -0.23 0.02 0.00 0.00 0.00 0.00 54.91 54.70 1nks h ALA 45 Cb 1.30 -0.19 -0.02 0.00 0.00 0.00 0.00 17.79 18.87 1nks h ALA 45 CO 0.10 0.38 0.00 -0.07 0.00 0.00 0.00 179.25 179.66 1nks h LEU 46 N 0.70 -0.05 -1.35 0.00 4.07 -1.28 0.51 115.31 117.91 1nks h LEU 46 Ca 0.15 0.03 -0.06 0.00 0.08 0.00 0.00 57.88 58.09 1nks h LEU 46 Cb 0.37 0.06 -0.01 0.00 1.08 0.00 0.00 40.66 42.16 1nks h LEU 46 CO 0.01 -0.00 -0.29 0.11 -1.08 0.00 0.00 178.44 177.18 1nks h LYS 47 N 0.06 0.00 0.00 1.13 1.57 -1.33 -3.13 116.57 114.87 1nks h LYS 47 Ca 0.07 0.00 0.00 0.00 -1.87 0.00 0.00 60.65 58.85 1nks h LYS 47 Cb 0.09 0.00 0.00 0.00 0.08 0.00 0.00 32.23 32.40 1nks h LYS 47 CO -0.12 0.29 -0.99 1.28 -0.57 0.00 0.00 179.45 179.35 1nks n LEU 48 N -3.77 0.91 0.00 2.94 4.77 -0.68 -4.98 117.00 116.19 1nks n LEU 48 Ca -0.01 -0.43 0.00 0.00 -0.03 0.00 0.00 56.01 55.54 1nks n LEU 48 Cb 0.39 -0.03 0.00 0.00 -2.33 0.00 0.00 43.42 41.45 1nks n LEU 48 CO 0.35 0.23 0.00 0.61 -1.33 0.00 0.00 177.39 177.25 1nks n GLY 49 N 1.49 0.47 0.17 -0.72 0.00 -0.35 -4.98 105.19 101.28 1nks n GLY 49 Ca 0.04 -0.94 -0.22 0.00 0.00 0.00 0.00 46.02 44.90 1nks n GLY 49 CO 0.00 0.00 0.00 -0.97 0.00 0.00 0.00 173.32 172.35 1nks h TYR 50 N 0.00 0.99 -3.54 1.61 0.05 -1.26 -3.48 116.97 111.35 1nks h TYR 50 Ca 0.00 -0.62 -0.06 0.00 0.05 0.00 0.00 58.73 58.10 1nks h TYR 50 Cb 0.18 -0.08 -0.13 0.00 1.01 0.00 0.00 36.73 37.70 1nks h TYR 50 CO 0.00 1.46 -0.17 0.00 -1.05 0.00 0.00 178.16 178.40 1nks s ALA 51 N -3.00 -0.68 -0.25 3.88 0.00 -1.23 -5.03 121.76 115.44 1nks s ALA 51 Ca -0.09 -0.26 -0.14 0.00 0.00 0.00 0.00 51.96 51.47 1nks s ALA 51 Cb 0.06 0.63 -0.15 0.00 0.00 0.00 0.00 23.12 23.66 1nks s ALA 51 CO 0.93 -0.60 -0.17 1.63 0.00 0.00 0.00 175.76 177.55 1nks n LYS 52 N -0.17 0.60 -4.55 0.00 5.02 -1.26 -3.97 118.16 113.82 1nks n LYS 52 Ca -0.15 0.34 -0.26 0.00 -2.02 0.00 0.00 58.31 56.21 1nks n LYS 52 Cb 0.63 -1.57 -0.10 0.00 -0.02 0.00 0.00 35.03 33.97 1nks n LYS 52 CO 0.00 0.00 0.00 0.16 -0.52 0.00 0.00 177.40 177.04 1nks s ASP 53 N -7.23 3.80 0.46 4.39 -4.77 -1.26 -4.98 116.67 107.06 1nks s ASP 53 Ca -0.35 -1.23 0.18 0.00 -3.30 0.00 0.00 52.55 47.85 1nks s ASP 53 Cb 0.12 -0.37 1.09 0.00 -1.09 0.00 0.00 42.92 42.67 1nks s ASP 53 CO 0.54 -0.26 1.99 0.08 0.70 0.00 0.00 175.17 178.21 1nks h ARG 54 N 1.95 0.00 0.00 2.11 0.11 -1.98 -2.77 114.38 113.80 1nks h ARG 54 Ca -0.42 0.00 0.00 0.00 0.10 0.00 0.00 59.98 59.66 1nks h ARG 54 Cb 1.25 0.00 0.00 0.00 1.11 0.00 0.00 29.97 32.33 1nks h ARG 54 CO 0.73 0.19 0.00 -0.25 0.10 0.00 0.00 179.97 180.74 1nks n ASP 55 N -4.09 0.00 0.06 0.08 8.00 -1.26 -3.00 116.55 116.35 1nks n ASP 55 Ca -0.02 0.10 0.04 0.00 0.71 0.00 0.00 54.79 55.62 1nks n ASP 55 Cb 0.27 -0.35 -0.05 0.00 -0.02 0.00 0.00 41.12 40.97 1nks n ASP 55 CO 0.00 0.00 0.00 -0.33 -0.39 0.00 0.00 177.20 176.48 1nks h GLU 56 N 0.00 0.00 -0.94 -1.24 5.08 -1.92 -3.40 114.58 112.16 1nks h GLU 56 Ca 0.00 0.00 0.00 0.00 -1.00 0.00 0.00 59.36 58.36 1nks h GLU 56 Cb 0.28 0.00 -0.05 0.00 0.50 0.00 0.00 28.75 29.48 1nks h GLU 56 CO 0.00 0.18 0.60 0.52 -1.00 0.00 0.00 179.01 179.31 1nks h MET 57 N 0.00 1.26 0.00 2.33 2.86 -1.66 -1.56 114.93 118.15 1nks h MET 57 Ca -0.10 -0.10 0.00 0.00 -2.06 0.00 0.00 59.70 57.45 1nks h MET 57 Cb 1.35 -0.27 0.00 0.00 0.06 0.00 0.00 31.60 32.74 1nks h MET 57 CO 0.03 0.86 0.00 2.89 1.06 0.00 0.00 176.91 181.75 1nks n ARG 58 N -4.37 0.01 0.01 1.72 1.85 -1.26 -2.10 116.66 112.52 1nks n ARG 58 Ca 0.11 0.23 0.11 0.00 -1.00 0.00 0.00 57.85 57.30 1nks n ARG 58 Cb 0.04 -1.50 0.02 0.00 -1.05 0.00 0.00 32.46 29.97 1nks n ARG 58 CO 0.00 0.00 0.00 1.63 -0.01 0.00 0.00 177.63 179.25 1nks n LYS 59 N -1.49 0.12 -1.00 2.89 4.76 -0.60 -4.21 118.16 118.62 1nks n LYS 59 Ca 0.04 -0.01 -0.30 0.00 -2.87 0.00 0.00 58.31 55.17 1nks n LYS 59 Cb 0.18 -1.53 0.15 0.00 -1.84 0.00 0.00 35.03 32.00 1nks n LYS 59 CO 0.00 0.00 0.00 -0.51 -1.37 0.00 0.00 177.40 175.52 1nks s LEU 60 N -3.34 2.30 0.74 -0.35 1.43 -0.89 -4.88 118.68 113.70 1nks s LEU 60 Ca 0.07 1.71 -0.15 0.00 -1.03 0.00 0.00 54.13 54.73 1nks s LEU 60 Cb 0.16 -4.09 0.05 0.00 0.03 0.00 0.00 46.19 42.34 1nks s LEU 60 CO 0.80 -2.88 1.23 -0.94 0.23 0.00 0.00 176.35 174.79 1nks s SER 61 N -3.11 4.03 0.26 2.29 1.04 -1.26 -4.75 113.70 112.20 1nks s SER 61 Ca 0.65 2.42 -0.02 0.00 0.48 0.00 0.00 55.95 59.48 1nks s SER 61 Cb -0.20 -2.60 0.43 0.00 0.10 0.00 0.00 66.02 63.76 1nks s SER 61 CO 0.58 -2.38 1.85 0.58 0.98 0.00 0.00 173.24 174.85 1nks h VAL 62 N -0.36 1.00 -0.52 5.02 2.07 -1.97 -2.08 116.25 119.41 1nks h VAL 62 Ca -0.48 -0.35 0.01 0.00 0.82 0.00 0.00 66.70 66.70 1nks h VAL 62 Cb 1.31 -0.11 -0.03 0.00 -1.52 0.00 0.00 31.29 30.93 1nks h VAL 62 CO 0.49 0.19 0.33 -0.08 0.02 0.00 0.00 177.57 178.52 1nks h GLU 63 N 1.02 0.65 -0.13 1.57 4.81 -2.00 -1.55 114.58 118.96 1nks h GLU 63 Ca 0.44 -0.04 -0.14 0.00 -0.13 0.00 0.00 59.36 59.49 1nks h GLU 63 Cb 0.30 -0.15 -0.01 0.00 0.63 0.00 0.00 28.75 29.52 1nks h GLU 63 CO -0.21 0.43 -0.53 0.87 -0.73 0.00 0.00 179.01 178.83 1nks h LYS 64 N 0.67 0.36 -0.56 1.92 1.57 -1.81 -2.82 116.57 115.91 1nks h LYS 64 Ca 0.20 -0.22 -0.07 0.00 -1.87 0.00 0.00 60.65 58.69 1nks h LYS 64 Cb -0.04 0.02 -0.02 0.00 0.08 0.00 0.00 32.23 32.27 1nks h LYS 64 CO -0.06 0.81 0.06 1.96 -0.57 0.00 0.00 179.45 181.65 1nks h GLN 65 N 0.28 0.91 -0.74 3.15 4.20 -1.03 -1.60 115.11 120.28 1nks h GLN 65 Ca 0.01 -0.23 0.02 0.00 0.06 0.00 0.00 58.65 58.51 1nks h GLN 65 Cb 1.03 -0.11 -0.04 0.00 0.30 0.00 0.00 27.48 28.65 1nks h GLN 65 CO 0.09 0.86 0.48 0.87 -0.67 0.00 0.00 178.83 180.46 1nks h LYS 66 N 0.85 0.93 -0.31 1.46 1.57 -1.10 -0.51 116.57 119.47 1nks h LYS 66 Ca 0.17 -0.06 -0.00 0.00 -1.87 0.00 0.00 60.65 58.89 1nks h LYS 66 Cb 0.41 -0.21 -0.01 0.00 0.08 0.00 0.00 32.23 32.50 1nks h LYS 66 CO 0.01 0.62 0.18 -0.22 -0.57 0.00 0.00 179.45 179.47 1nks h LYS 67 N 0.96 0.42 -0.60 3.15 3.11 -1.24 -1.60 116.57 120.77 1nks h LYS 67 Ca 0.29 -0.04 -0.01 0.00 -2.81 0.00 0.00 60.65 58.07 1nks h LYS 67 Cb -0.05 -0.09 -0.03 0.00 -1.00 0.00 0.00 32.23 31.07 1nks h LYS 67 CO -0.09 0.33 0.34 -0.07 -2.81 0.00 0.00 179.45 177.16 1nks h LEU 68 N 0.39 0.75 -0.30 5.20 3.38 -0.89 -2.27 115.31 121.56 1nks h LEU 68 Ca 0.11 -0.09 0.01 0.00 0.09 0.00 0.00 57.88 58.01 1nks h LEU 68 Cb 0.03 -0.19 -0.02 0.00 0.09 0.00 0.00 40.66 40.57 1nks h LEU 68 CO -0.02 0.62 0.17 -0.61 0.09 0.00 0.00 178.44 178.68 1nks h GLN 69 N 0.82 0.33 -0.16 1.13 4.15 -0.91 0.16 115.11 120.63 1nks h GLN 69 Ca 0.21 -0.02 -0.01 0.00 0.77 0.00 0.00 58.65 59.60 1nks h GLN 69 Cb 0.03 -0.08 -0.01 0.00 0.21 0.00 0.00 27.48 27.64 1nks h GLN 69 CO -0.04 0.22 0.07 0.82 -1.93 0.00 0.00 178.83 177.97 1nks h ILE 70 N 0.34 1.15 -0.31 2.39 2.04 -1.18 -0.81 117.51 121.13 1nks h ILE 70 Ca 0.12 -0.45 -0.01 0.00 1.00 0.00 0.00 64.86 65.52 1nks h ILE 70 Cb 0.01 1.15 -0.01 0.00 -0.74 0.00 0.00 36.82 37.22 1nks h ILE 70 CO -0.06 0.14 0.16 -0.78 0.00 0.00 0.00 178.15 177.61 1nks h ASP 71 N 0.11 0.39 -0.62 1.72 1.82 -1.10 0.58 116.42 119.32 1nks h ASP 71 Ca 0.05 -0.10 -0.01 0.00 -0.39 0.00 0.00 57.03 56.59 1nks h ASP 71 Cb 0.16 -0.10 -0.03 0.00 0.68 0.00 0.00 39.33 40.04 1nks h ASP 71 CO -0.00 0.38 0.35 0.00 -1.61 0.00 0.00 179.24 178.36 1nks h ALA 72 N 1.03 0.80 -0.14 -0.78 0.00 -0.65 -1.93 119.26 117.59 1nks h ALA 72 Ca 0.11 -0.10 0.04 0.00 0.00 0.00 0.00 54.91 54.96 1nks h ALA 72 Cb 0.08 -0.25 -0.04 0.00 0.00 0.00 0.00 17.79 17.58 1nks h ALA 72 CO -0.02 0.30 -0.09 0.00 0.00 0.00 0.00 179.25 179.45 1nks h ALA 73 N 1.17 0.02 -0.32 0.00 0.00 -0.47 -0.68 119.26 118.98 1nks h ALA 73 Ca 0.22 0.06 0.00 0.00 0.00 0.00 0.00 54.91 55.19 1nks h ALA 73 Cb 0.02 0.21 -0.02 0.00 0.00 0.00 0.00 17.79 18.00 1nks h ALA 73 CO -0.04 -0.54 0.21 0.87 0.00 0.00 0.00 179.25 179.76 1nks h LYS 74 N -0.09 0.42 -0.23 0.00 1.57 -0.58 -1.75 116.57 115.91 1nks h LYS 74 Ca 0.08 -0.03 -0.17 0.00 -1.87 0.00 0.00 60.65 58.67 1nks h LYS 74 Cb 0.22 -0.09 -0.00 0.00 0.08 0.00 0.00 32.23 32.43 1nks h LYS 74 CO -0.20 0.28 -0.54 0.78 -0.57 0.00 0.00 179.45 179.20 1nks h GLY 75 N 0.43 0.76 2.00 3.86 0.00 -0.53 -3.03 103.07 106.56 1nks h GLY 75 Ca 0.12 -0.88 -0.15 0.00 0.00 0.00 0.00 47.33 46.42 1nks h GLY 75 CO -0.03 0.79 -0.69 -2.22 0.00 0.00 0.00 176.54 174.39 1nks h ILE 76 N 0.53 1.38 -0.72 2.60 2.04 -0.85 -3.03 117.51 119.46 1nks h ILE 76 Ca 0.01 -2.47 -0.04 0.00 1.00 0.00 0.00 64.86 63.37 1nks h ILE 76 Cb 1.11 2.37 -0.03 0.00 -0.74 0.00 0.00 36.82 39.53 1nks h ILE 76 CO 0.11 0.68 0.29 0.00 0.00 0.00 0.00 178.15 179.23 1nks h ALA 77 N 1.31 1.15 -0.55 1.87 0.00 -1.30 -1.74 119.26 119.99 1nks h ALA 77 Ca -0.01 -0.18 -0.07 0.00 0.00 0.00 0.00 54.91 54.65 1nks h ALA 77 Cb 1.32 -0.29 -0.02 0.00 0.00 0.00 0.00 17.79 18.80 1nks h ALA 77 CO 0.09 0.62 0.06 1.49 0.00 0.00 0.00 179.25 181.51 1nks h GLU 78 N 1.05 0.92 0.00 0.00 4.81 -1.42 -2.50 114.58 117.44 1nks h GLU 78 Ca 0.24 -0.26 0.00 0.00 -0.13 0.00 0.00 59.36 59.21 1nks h GLU 78 Cb 0.20 -0.10 0.00 0.00 0.63 0.00 0.00 28.75 29.48 1nks h GLU 78 CO -0.02 0.90 0.00 -1.91 -0.73 0.00 0.00 179.01 177.25 1nks n GLU 79 N -4.33 0.16 -0.02 1.92 2.13 -1.06 -2.68 120.64 116.76 1nks n GLU 79 Ca 0.02 0.26 -0.16 0.00 0.66 0.00 0.00 57.16 57.94 1nks n GLU 79 Cb 0.28 -1.74 -0.12 0.00 0.27 0.00 0.00 31.44 30.14 1nks n GLU 79 CO 0.00 0.00 0.00 0.00 -0.41 0.00 0.00 177.13 176.72 1nks h ALA 80 N 2.51 0.04 -0.05 4.31 0.00 -1.01 -3.35 119.26 121.70 1nks h ALA 80 Ca 0.00 -0.51 -0.00 0.00 0.00 0.00 0.00 54.91 54.40 1nks h ALA 80 Cb 0.50 0.02 -0.00 0.00 0.00 0.00 0.00 17.79 18.31 1nks h ALA 80 CO 0.00 0.17 0.03 0.00 0.00 0.00 0.00 179.25 179.45 1nks h ARG 81 N -0.40 0.07 -5.55 0.00 3.08 -1.25 -3.34 114.38 106.98 1nks h ARG 81 Ca -0.05 -0.01 -0.68 0.00 0.07 0.00 0.00 59.98 59.32 1nks h ARG 81 Cb 1.13 -0.01 -0.12 0.00 0.08 0.00 0.00 29.97 31.05 1nks h ARG 81 CO 0.07 0.12 1.67 0.00 -1.07 0.00 0.00 179.97 180.77 1nks s ALA 82 N -5.87 3.34 0.00 0.04 0.00 -1.09 -4.14 121.76 114.04 1nks s ALA 82 Ca -0.13 -2.85 0.00 0.00 0.00 0.00 0.00 51.96 48.97 1nks s ALA 82 Cb 0.06 -4.42 0.00 0.00 0.00 0.00 0.00 23.12 18.76 1nks s ALA 82 CO 0.67 -3.21 0.00 0.41 0.00 0.00 0.00 175.76 173.63 1nks n GLY 83 N 5.46 0.00 7.00 0.00 0.00 -1.25 -4.92 105.19 111.47 1nks n GLY 83 Ca 0.39 0.00 0.00 0.00 0.00 0.00 0.00 46.02 46.41 1nks n GLY 83 CO 0.00 0.00 0.00 0.61 0.00 0.00 0.00 173.32 173.93 1nks n GLY 84 N -0.08 3.51 3.83 -0.02 0.00 -1.26 -4.71 105.19 106.46 1nks n GLY 84 Ca 0.00 0.24 -0.33 0.00 0.00 0.00 0.00 46.02 45.93 1nks n GLY 84 CO 0.00 0.00 0.00 1.85 0.00 0.00 0.00 173.32 175.17 1nks s GLU 85 N 0.00 4.01 0.00 1.61 2.56 -1.26 0.91 118.70 126.53 1nks s GLU 85 Ca 0.00 1.06 0.00 0.00 0.00 0.00 0.00 54.97 56.03 1nks s GLU 85 Cb 0.00 -2.14 0.00 0.00 2.00 0.00 0.00 34.13 33.99 1nks s GLU 85 CO 0.00 -0.22 0.00 0.41 -0.56 0.00 0.00 175.26 174.89 1nks n GLY 86 N -1.11 -2.23 3.79 -1.50 0.00 -1.26 -4.78 105.19 98.09 1nks n GLY 86 Ca 0.07 -2.17 -0.36 0.00 0.00 0.00 0.00 46.02 43.56 1nks n GLY 86 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nks s TYR 87 N -0.71 3.46 -0.25 1.61 2.02 -0.35 -1.77 117.35 121.36 1nks s TYR 87 Ca 0.00 0.38 -0.03 0.00 -0.37 0.00 0.00 57.07 57.05 1nks s TYR 87 Cb 0.00 -2.00 0.02 0.00 -0.40 0.00 0.00 41.96 39.58 1nks s TYR 87 CO 0.00 0.52 -0.04 -1.17 -1.57 0.00 0.00 175.55 173.29 1nks s LEU 88 N -0.48 3.19 -0.24 -1.29 2.96 -0.26 -1.44 118.68 121.13 1nks s LEU 88 Ca 0.11 -0.75 -0.09 0.00 -0.22 0.00 0.00 54.13 53.19 1nks s LEU 88 Cb -0.12 -1.70 -0.04 0.00 0.50 0.00 0.00 46.19 44.83 1nks s LEU 88 CO 0.02 -0.11 0.11 -0.36 -1.32 0.00 0.00 176.35 174.69 1nks s PHE 89 N 1.38 3.20 -0.37 5.38 0.08 -0.43 -1.07 117.98 126.15 1nks s PHE 89 Ca 0.02 -0.04 -0.12 0.00 0.12 0.00 0.00 56.93 56.91 1nks s PHE 89 Cb -0.16 -2.23 0.02 0.00 -0.57 0.00 0.00 43.02 40.07 1nks s PHE 89 CO -0.04 -0.10 0.22 0.42 -0.10 0.00 0.00 175.22 175.62 1nks s ILE 90 N 1.22 4.77 -0.41 0.64 1.01 -0.05 -1.67 121.20 126.70 1nks s ILE 90 Ca 0.06 -0.68 -0.25 0.00 0.00 0.00 0.00 60.65 59.78 1nks s ILE 90 Cb -0.14 -3.60 0.02 0.00 0.01 0.00 0.00 42.46 38.75 1nks s ILE 90 CO 0.05 -0.17 0.91 -0.62 0.00 0.00 0.00 174.94 175.11 1nks s ASP 91 N 1.60 6.58 0.00 3.58 2.15 0.13 -0.43 116.67 130.29 1nks s ASP 91 Ca 0.03 0.33 0.00 0.00 0.43 0.00 0.00 52.55 53.34 1nks s ASP 91 Cb -0.19 -2.45 0.00 0.00 -0.30 0.00 0.00 42.92 39.98 1nks s ASP 91 CO 0.08 -0.94 0.00 1.07 -0.17 0.00 0.00 175.17 175.20 1nks n THR 92 N 6.19 0.00 -4.14 1.71 5.66 -0.53 -1.03 114.28 122.14 1nks n THR 92 Ca 0.06 0.00 -0.17 0.00 -3.05 0.00 0.00 64.05 60.89 1nks n THR 92 Cb 0.48 0.00 -0.12 0.00 -1.55 0.00 0.00 70.33 69.14 1nks n THR 92 CO 0.00 0.00 0.00 -1.00 -3.05 0.00 0.00 175.07 171.02 1nks s HIS 93 N -1.51 1.05 -0.01 1.09 3.76 -1.26 -3.74 115.29 114.67 1nks s HIS 93 Ca 0.00 -0.47 -0.17 0.00 -0.15 0.00 0.00 55.06 54.27 1nks s HIS 93 Cb 0.00 -0.60 -0.33 0.00 1.11 0.00 0.00 32.58 32.76 1nks s HIS 93 CO 0.00 0.01 0.89 0.00 -0.85 0.00 0.00 174.74 174.79 1nks h ALA 94 N 4.37 -0.07 -3.25 -1.40 0.00 -1.91 -3.34 119.26 113.65 1nks h ALA 94 Ca -0.39 -0.88 -0.31 0.00 0.00 0.00 0.00 54.91 53.33 1nks h ALA 94 Cb 1.19 0.23 -0.22 0.00 0.00 0.00 0.00 17.79 18.99 1nks h ALA 94 CO 0.40 0.67 -0.75 0.14 0.00 0.00 0.00 179.25 179.72 1nks s VAL 95 N -2.54 0.67 -0.17 0.00 -7.23 -1.26 -0.09 120.40 109.78 1nks s VAL 95 Ca -0.12 -1.11 -0.02 0.00 -1.81 0.00 0.00 61.98 58.93 1nks s VAL 95 Cb 0.03 -0.71 -0.01 0.00 0.56 0.00 0.00 36.38 36.25 1nks s VAL 95 CO 0.89 -0.33 -0.09 -0.63 -0.31 0.00 0.00 175.10 174.63 1nks s ILE 96 N -1.31 3.15 -0.24 -0.62 1.09 0.03 -4.86 121.20 118.44 1nks s ILE 96 Ca -0.08 -0.60 -0.29 0.00 -1.10 0.00 0.00 60.65 58.59 1nks s ILE 96 Cb -0.10 -2.38 0.00 0.00 -1.06 0.00 0.00 42.46 38.93 1nks s ILE 96 CO 0.01 0.48 1.17 -0.13 -0.10 0.00 0.00 174.94 176.37 1nks s ARG 97 N 0.88 4.15 0.30 2.79 0.52 -1.26 -0.85 118.95 125.47 1nks s ARG 97 Ca -0.02 1.39 0.07 0.00 -0.52 0.00 0.00 55.73 56.64 1nks s ARG 97 Cb -0.15 -3.74 -0.06 0.00 0.52 0.00 0.00 34.95 31.52 1nks s ARG 97 CO 0.00 -0.80 -0.05 0.95 0.02 0.00 0.00 175.30 175.43 1nks s THR 98 N 3.60 1.68 0.54 0.02 -4.23 -0.69 -4.89 115.64 111.68 1nks s THR 98 Ca 0.50 -2.12 0.29 0.00 -1.18 0.00 0.00 61.69 59.19 1nks s THR 98 Cb -0.17 -2.53 0.34 0.00 1.34 0.00 0.00 72.50 71.47 1nks s THR 98 CO 0.14 -0.24 2.21 -0.65 -0.54 0.00 0.00 174.62 175.53 1nks h PRO 99 N 2.21 0.00 -0.25 3.99 0.11 -1.90 -0.65 132.00 135.51 1nks h PRO 99 Ca -0.40 0.00 0.00 0.00 0.11 0.00 0.00 66.00 65.71 1nks h PRO 99 Cb 1.24 0.00 0.00 0.00 0.11 0.00 0.00 31.00 32.35 1nks h PRO 99 CO 0.68 0.04 0.00 0.43 -0.21 0.00 0.00 178.00 178.94 1nks n SER 100 N -3.79 1.72 0.00 -2.05 7.64 -1.26 -5.05 113.62 110.83 1nks n SER 100 Ca -0.03 -1.84 0.00 0.00 1.01 0.00 0.00 58.87 58.01 1nks n SER 100 Cb 0.13 -0.16 0.00 0.00 -1.01 0.00 0.00 64.21 63.16 1nks n SER 100 CO 0.00 0.00 0.00 0.61 -3.01 0.00 0.00 175.04 172.64 1nks n GLY 101 N 1.08 -1.47 3.65 0.23 0.00 -0.25 -4.97 105.19 103.45 1nks n GLY 101 Ca 0.14 -2.07 -0.43 0.00 0.00 0.00 0.00 46.02 43.66 1nks n GLY 101 CO 0.00 0.00 0.00 -0.19 0.00 0.00 0.00 173.32 173.13 1nks s TYR 102 N 0.00 2.59 -0.26 1.61 2.02 -1.26 -1.70 117.35 120.36 1nks s TYR 102 Ca 0.00 0.81 -0.16 0.00 -0.37 0.00 0.00 57.07 57.35 1nks s TYR 102 Cb 0.00 -3.74 -0.03 0.00 -0.40 0.00 0.00 41.96 37.79 1nks s TYR 102 CO 0.00 -2.13 0.43 -1.17 -1.57 0.00 0.00 175.55 171.11 1nks s LEU 103 N 4.07 4.06 0.25 -1.29 2.96 -0.03 -4.87 118.68 123.83 1nks s LEU 103 Ca 0.60 0.41 -0.31 0.00 -0.22 0.00 0.00 54.13 54.60 1nks s LEU 103 Cb -0.22 -2.53 -0.13 0.00 0.50 0.00 0.00 46.19 43.81 1nks s LEU 103 CO 0.21 -0.21 1.51 -2.65 -1.32 0.00 0.00 176.35 173.88 1nks n PRO 104 N 5.30 2.33 0.16 0.98 -0.02 -1.26 -0.79 135.00 141.70 1nks n PRO 104 Ca -0.07 0.83 0.07 0.00 -2.02 0.00 0.00 63.50 62.31 1nks n PRO 104 Cb 0.50 -2.55 0.08 0.00 -0.02 0.00 0.00 33.50 31.51 1nks n PRO 104 CO 0.00 0.00 0.00 0.78 1.98 0.00 0.00 175.50 178.26 1nks h GLY 105 N 4.67 0.00 -5.59 -1.23 0.00 -0.62 -3.38 103.07 96.92 1nks h GLY 105 Ca -0.46 0.00 -0.55 0.00 0.00 0.00 0.00 47.33 46.32 1nks h GLY 105 CO 0.79 0.00 -0.85 1.04 0.00 0.00 0.00 176.54 177.52 1nks n LEU 106 N -3.13 3.05 -4.60 3.11 4.77 -1.26 -4.93 117.00 114.00 1nks n LEU 106 Ca 0.02 -5.41 -0.29 0.00 -0.03 0.00 0.00 56.01 50.30 1nks n LEU 106 Cb 0.65 -0.07 0.21 0.00 -2.33 0.00 0.00 43.42 41.88 1nks n LEU 106 CO 0.38 2.32 0.59 -2.16 -1.33 0.00 0.00 177.39 177.19 1nks s PRO 107 N -3.02 -0.12 0.27 3.23 0.04 -1.26 -4.30 135.00 129.83 1nks s PRO 107 Ca 0.45 0.65 -0.00 0.00 0.04 0.00 0.00 61.00 62.14 1nks s PRO 107 Cb 0.30 -1.66 0.59 0.00 0.04 0.00 0.00 34.50 33.77 1nks s PRO 107 CO -0.11 -3.13 1.71 0.66 0.04 0.00 0.00 177.00 176.16 1nks h SER 108 N -2.19 0.27 0.72 6.66 4.64 -1.98 0.77 113.55 122.44 1nks h SER 108 Ca -0.57 0.14 -0.04 0.00 -0.47 0.00 0.00 61.79 60.85 1nks h SER 108 Cb 1.33 0.13 -0.01 0.00 -0.31 0.00 0.00 62.40 63.54 1nks h SER 108 CO 0.55 0.04 -0.17 0.10 -0.87 0.00 0.00 176.83 176.47 1nks h TYR 109 N 0.40 0.00 0.00 4.77 -0.00 -2.00 -2.57 116.97 117.57 1nks h TYR 109 Ca 0.49 0.00 -0.10 0.00 0.00 0.00 0.00 58.73 59.11 1nks h TYR 109 Cb 0.85 0.00 -0.02 0.00 0.00 0.00 0.00 36.73 37.56 1nks h TYR 109 CO -0.17 0.17 -0.68 0.28 -0.00 0.00 0.00 178.16 177.76 1nks h VAL 110 N 0.00 0.77 -1.00 -0.90 2.07 -1.35 -3.36 116.25 112.47 1nks h VAL 110 Ca -0.00 -1.79 0.15 0.00 0.82 0.00 0.00 66.70 65.88 1nks h VAL 110 Cb 0.58 1.67 -0.09 0.00 -1.52 0.00 0.00 31.29 31.92 1nks h VAL 110 CO 0.02 0.26 0.62 0.40 0.02 0.00 0.00 177.57 178.89 1nks h ILE 111 N -1.00 0.82 0.00 4.57 1.08 -0.95 -2.48 117.51 119.55 1nks h ILE 111 Ca -0.16 -0.30 -0.01 0.00 -0.39 0.00 0.00 64.86 64.01 1nks h ILE 111 Cb 0.90 -0.13 -0.00 0.00 -3.07 0.00 0.00 36.82 34.52 1nks h ILE 111 CO -0.09 0.16 -0.03 0.71 -0.69 0.00 0.00 178.15 178.21 1nks h THR 112 N 0.87 0.05 -0.11 -0.27 1.35 -1.67 0.34 112.91 113.48 1nks h THR 112 Ca 0.53 -1.03 -0.23 0.00 -0.55 0.00 0.00 66.41 65.13 1nks h THR 112 Cb 0.69 1.99 0.01 0.00 -1.73 0.00 0.00 68.15 69.11 1nks h THR 112 CO -0.31 0.03 -0.84 -0.33 -0.25 0.00 0.00 175.52 173.82 1nks h GLU 113 N 0.00 0.74 0.00 4.72 4.39 -1.60 -3.37 114.58 119.45 1nks h GLU 113 Ca -0.00 -0.64 -0.35 0.00 0.34 0.00 0.00 59.36 58.70 1nks h GLU 113 Cb 0.98 0.15 -0.06 0.00 -0.10 0.00 0.00 28.75 29.72 1nks h GLU 113 CO 0.00 1.25 -2.22 -0.89 -1.16 0.00 0.00 179.01 175.99 1nks n ILE 114 N -3.90 1.45 -2.96 3.13 5.41 -1.06 -4.83 119.36 116.60 1nks n ILE 114 Ca -0.08 -0.83 -0.23 0.00 1.00 0.00 0.00 62.75 62.61 1nks n ILE 114 Cb 0.78 -0.67 0.02 0.00 -0.71 0.00 0.00 39.64 39.06 1nks n ILE 114 CO 0.00 0.00 0.00 0.59 0.00 0.00 0.00 176.55 177.14 1nks n ASN 115 N -2.86 -3.53 -4.92 4.38 3.02 0.12 -4.94 115.26 106.53 1nks n ASN 115 Ca -0.30 -0.32 -0.27 0.00 -0.03 0.00 0.00 54.58 53.66 1nks n ASN 115 Cb 1.12 -1.08 0.06 0.00 -0.61 0.00 0.00 39.78 39.28 1nks n ASN 115 CO 0.00 0.00 0.00 -2.16 -2.62 0.00 0.00 177.26 172.48 1nks s PRO 116 N -2.54 2.37 -0.14 3.52 0.04 -1.26 -4.86 135.00 132.13 1nks s PRO 116 Ca 0.17 -0.06 -0.03 0.00 0.04 0.00 0.00 61.00 61.12 1nks s PRO 116 Cb -0.02 -2.13 -0.24 0.00 0.04 0.00 0.00 34.50 32.15 1nks s PRO 116 CO 0.60 -1.17 0.29 0.43 0.04 0.00 0.00 177.00 177.18 1nks n SER 117 N -2.94 1.95 -4.01 6.66 7.64 -0.52 -4.41 113.62 117.99 1nks n SER 117 Ca 0.07 0.16 -0.14 0.00 1.01 0.00 0.00 58.87 59.98 1nks n SER 117 Cb 0.60 -0.68 -0.13 0.00 -1.01 0.00 0.00 64.21 62.99 1nks n SER 117 CO 0.00 0.00 0.00 -0.69 -3.01 0.00 0.00 175.04 171.34 1nks s VAL 118 N -2.55 0.44 -0.18 0.44 1.01 -1.22 -1.64 120.40 116.69 1nks s VAL 118 Ca -0.23 -0.69 0.01 0.00 0.00 0.00 0.00 61.98 61.08 1nks s VAL 118 Cb 0.07 -0.46 0.03 0.00 0.00 0.00 0.00 36.38 36.02 1nks s VAL 118 CO 0.75 -0.18 -0.16 -0.63 0.00 0.00 0.00 175.10 174.88 1nks s ILE 119 N -0.83 1.85 -0.11 2.22 1.01 -0.15 -1.18 121.20 124.00 1nks s ILE 119 Ca -0.05 -0.92 -0.07 0.00 0.00 0.00 0.00 60.65 59.61 1nks s ILE 119 Cb -0.06 -1.76 -0.04 0.00 0.01 0.00 0.00 42.46 40.61 1nks s ILE 119 CO 0.00 0.40 0.13 -0.36 0.00 0.00 0.00 174.94 175.11 1nks s PHE 120 N 1.35 3.57 -0.37 3.97 0.08 0.13 -1.30 117.98 125.41 1nks s PHE 120 Ca 0.03 0.50 0.00 0.00 0.12 0.00 0.00 56.93 57.58 1nks s PHE 120 Cb -0.14 -1.93 0.10 0.00 -0.57 0.00 0.00 43.02 40.48 1nks s PHE 120 CO -0.11 0.72 0.11 -0.51 -0.10 0.00 0.00 175.22 175.33 1nks s LEU 121 N -1.04 4.89 -0.04 -0.37 1.43 -0.24 -1.53 118.68 121.79 1nks s LEU 121 Ca 0.15 -2.01 -0.30 0.00 -1.03 0.00 0.00 54.13 50.94 1nks s LEU 121 Cb -0.12 -1.73 -0.04 0.00 0.03 0.00 0.00 46.19 44.33 1nks s LEU 121 CO 0.04 -0.44 1.22 -0.76 0.23 0.00 0.00 176.35 176.64 1nks s LEU 122 N 1.05 4.29 0.36 1.79 1.02 -0.03 -1.90 118.68 125.26 1nks s LEU 122 Ca 0.08 1.87 0.04 0.00 0.02 0.00 0.00 54.13 56.13 1nks s LEU 122 Cb -0.21 -3.56 -0.05 0.00 0.02 0.00 0.00 46.19 42.39 1nks s LEU 122 CO -0.06 -0.59 0.08 -1.61 0.02 0.00 0.00 176.35 174.20 1nks s GLU 123 N 2.12 1.76 -0.02 1.70 2.02 -0.81 -4.37 118.70 121.10 1nks s GLU 123 Ca 0.57 -2.02 -0.31 0.00 0.02 0.00 0.00 54.97 53.24 1nks s GLU 123 Cb -0.26 -0.80 0.12 0.00 0.10 0.00 0.00 34.13 33.29 1nks s GLU 123 CO 0.23 -0.29 1.28 0.00 0.02 0.00 0.00 175.26 176.50 1nks s ALA 124 N -3.26 -2.23 0.30 5.21 0.00 -1.26 -1.76 121.76 118.76 1nks s ALA 124 Ca 0.31 0.74 -0.29 0.00 0.00 0.00 0.00 51.96 52.72 1nks s ALA 124 Cb 0.06 0.33 -0.10 0.00 0.00 0.00 0.00 23.12 23.42 1nks s ALA 124 CO 0.15 -1.03 1.42 0.34 0.00 0.00 0.00 175.76 176.64 1nks s ASP 125 N -2.94 6.61 0.32 0.00 -1.08 -1.26 -4.85 116.67 113.48 1nks s ASP 125 Ca 0.14 2.76 0.05 0.00 -0.52 0.00 0.00 52.55 54.98 1nks s ASP 125 Cb 0.05 -2.64 0.67 0.00 -1.46 0.00 0.00 42.92 39.54 1nks s ASP 125 CO -0.04 -0.70 1.87 -0.65 0.52 0.00 0.00 175.17 176.17 1nks h PRO 126 N 4.22 0.83 -0.16 4.34 0.11 -1.96 -1.30 132.00 138.09 1nks h PRO 126 Ca -0.48 -0.05 0.01 0.00 0.11 0.00 0.00 66.00 65.60 1nks h PRO 126 Cb 1.22 -0.19 -0.02 0.00 0.11 0.00 0.00 31.00 32.13 1nks h PRO 126 CO 0.72 0.55 0.06 0.87 -0.21 0.00 0.00 178.00 179.99 1nks h LYS 127 N 0.86 0.13 -0.91 1.05 1.57 -1.93 -0.54 116.57 116.79 1nks h LYS 127 Ca 0.45 -0.01 -0.02 0.00 -1.87 0.00 0.00 60.65 59.21 1nks h LYS 127 Cb 0.54 -0.03 -0.04 0.00 0.08 0.00 0.00 32.23 32.77 1nks h LYS 127 CO -0.21 0.09 0.51 0.82 -0.57 0.00 0.00 179.45 180.08 1nks h ILE 128 N 0.14 1.26 -0.39 1.86 2.04 -1.73 -1.51 117.51 119.18 1nks h ILE 128 Ca 0.07 -0.63 -0.03 0.00 1.00 0.00 0.00 64.86 65.27 1nks h ILE 128 Cb 0.04 0.02 -0.02 0.00 -0.74 0.00 0.00 36.82 36.12 1nks h ILE 128 CO -0.07 0.29 0.14 0.40 0.00 0.00 0.00 178.15 178.91 1nks h ILE 129 N 1.27 1.21 -0.31 -0.67 2.04 -0.96 -1.85 117.51 118.24 1nks h ILE 129 Ca 0.32 -0.65 0.06 0.00 1.00 0.00 0.00 64.86 65.59 1nks h ILE 129 Cb 0.01 0.90 -0.05 0.00 -0.74 0.00 0.00 36.82 36.94 1nks h ILE 129 CO -0.05 0.23 -0.04 0.25 0.00 0.00 0.00 178.15 178.54 1nks h LEU 130 N 0.49 -0.20 0.14 1.44 6.46 -0.68 -2.47 115.31 120.48 1nks h LEU 130 Ca 0.13 0.08 0.01 0.00 -0.12 0.00 0.00 57.88 57.98 1nks h LEU 130 Cb 0.23 0.16 -0.03 0.00 -0.73 0.00 0.00 40.66 40.29 1nks h LEU 130 CO -0.01 -0.06 -0.23 -1.28 -0.62 0.00 0.00 178.44 176.24 1nks h SER 131 N 0.05 -0.63 -0.01 1.25 0.87 -1.09 -2.70 113.55 111.29 1nks h SER 131 Ca 0.15 0.07 0.00 0.00 -1.23 0.00 0.00 61.79 60.78 1nks h SER 131 Cb 0.22 0.23 -0.00 0.00 -0.44 0.00 0.00 62.40 62.41 1nks h SER 131 CO -0.28 -0.32 0.29 0.03 -0.53 0.00 0.00 176.83 176.02 1nks h ARG 132 N -0.44 0.00 0.01 2.24 3.08 -0.88 -1.74 114.38 116.65 1nks h ARG 132 Ca 0.02 0.00 -0.25 0.00 0.07 0.00 0.00 59.98 59.82 1nks h ARG 132 Cb 0.45 0.00 0.01 0.00 0.08 0.00 0.00 29.97 30.51 1nks h ARG 132 CO -0.11 0.00 -1.01 1.96 -1.07 0.00 0.00 179.97 179.75 1nks h GLN 133 N 0.00 0.51 -0.40 0.04 4.20 -1.20 -3.30 115.11 114.95 1nks h GLN 133 Ca 0.00 -0.57 0.06 0.00 0.06 0.00 0.00 58.65 58.21 1nks h GLN 133 Cb 0.59 0.16 -0.05 0.00 0.30 0.00 0.00 27.48 28.48 1nks h GLN 133 CO -0.00 1.20 0.09 0.87 -0.67 0.00 0.00 178.83 180.32 1nks h LYS 134 N 0.28 0.22 0.00 1.46 1.79 -1.38 -2.75 116.57 116.19 1nks h LYS 134 Ca -0.10 -0.01 0.00 0.00 -2.18 0.00 0.00 60.65 58.35 1nks h LYS 134 Cb 1.65 -0.05 0.00 0.00 -1.58 0.00 0.00 32.23 32.25 1nks h LYS 134 CO 0.18 0.15 0.00 0.54 -1.08 0.00 0.00 179.45 179.24 1nks n ARG 135 N -5.08 0.55 -3.52 3.15 1.74 -1.24 -4.26 116.66 108.00 1nks n ARG 135 Ca 0.03 0.00 -0.28 0.00 -0.77 0.00 0.00 57.85 56.82 1nks n ARG 135 Cb 0.18 -1.10 -0.12 0.00 -1.02 0.00 0.00 32.46 30.40 1nks n ARG 135 CO 0.00 0.00 0.00 0.34 -1.52 0.00 0.00 177.63 176.45 1nks s ASP 136 N -1.55 2.77 -0.74 0.55 2.15 -1.04 -4.99 116.67 113.81 1nks s ASP 136 Ca 0.05 -2.65 -0.01 0.00 0.43 0.00 0.00 52.55 50.37 1nks s ASP 136 Cb 0.02 -0.62 0.38 0.00 -0.30 0.00 0.00 42.92 42.40 1nks s ASP 136 CO 0.04 -0.24 1.85 0.41 -0.17 0.00 0.00 175.17 177.05 1nks n THR 137 N 3.44 3.36 -0.04 1.71 -1.04 -1.26 -3.97 114.28 116.49 1nks n THR 137 Ca 0.17 -4.26 0.03 0.00 -2.04 0.00 0.00 64.05 57.95 1nks n THR 137 Cb 0.40 -1.23 -0.15 0.00 -1.82 0.00 0.00 70.33 67.53 1nks n THR 137 CO 0.00 0.00 0.00 1.07 -0.64 0.00 0.00 175.07 175.50 1nks n THR 138 N -0.58 0.46 -4.27 12.58 5.66 -1.26 -4.93 114.28 121.95 1nks n THR 138 Ca 0.52 -0.56 -0.18 0.00 -3.05 0.00 0.00 64.05 60.78 1nks n THR 138 Cb 0.37 -0.16 -0.15 0.00 -1.55 0.00 0.00 70.33 68.84 1nks n THR 138 CO 0.00 0.00 0.00 -0.60 -3.05 0.00 0.00 175.07 171.42 1nks s ARG 139 N -2.99 0.72 -0.12 1.09 6.06 -1.25 -5.15 118.95 117.30 1nks s ARG 139 Ca -0.08 -0.23 0.02 0.00 -2.50 0.00 0.00 55.73 52.94 1nks s ARG 139 Cb 0.10 -0.69 -0.01 0.00 0.06 0.00 0.00 34.95 34.40 1nks s ARG 139 CO 0.77 0.09 -0.18 -0.80 -2.50 0.00 0.00 175.30 172.69 1nks s ASN 140 N 0.15 3.62 -0.22 -2.12 0.02 -1.26 -4.98 114.94 110.15 1nks s ASN 140 Ca -0.02 -0.43 -0.04 0.00 -1.02 0.00 0.00 52.86 51.36 1nks s ASN 140 Cb -0.07 -1.51 0.09 0.00 0.02 0.00 0.00 41.25 39.78 1nks s ASN 140 CO -0.00 0.17 0.18 -0.13 0.02 0.00 0.00 177.10 177.33 1nks s ARG 141 N 0.33 0.17 0.00 -0.60 0.52 -1.26 -5.01 118.95 113.09 1nks s ARG 141 Ca -0.14 -0.04 0.19 0.00 -0.52 0.00 0.00 55.73 55.22 1nks s ARG 141 Cb -0.17 -1.32 0.55 0.00 0.52 0.00 0.00 34.95 34.53 1nks s ARG 141 CO 0.07 -0.76 1.45 0.09 0.02 0.00 0.00 175.30 176.17 1nks n ASN 142 N 5.30 3.66 0.09 0.23 4.13 -1.26 -4.33 115.26 123.08 1nks n ASN 142 Ca -0.06 -2.00 -0.05 0.00 1.68 0.00 0.00 54.58 54.16 1nks n ASN 142 Cb 0.48 -0.41 0.01 0.00 -1.54 0.00 0.00 39.78 38.31 1nks n ASN 142 CO 0.00 0.00 0.00 -2.24 0.28 0.00 0.00 177.26 175.30 1nks h ASP 143 N 3.63 0.01 -0.66 6.41 2.03 -2.03 -3.33 116.42 122.48 1nks h ASP 143 Ca 0.00 -0.01 -0.72 0.00 -0.73 0.00 0.00 57.03 55.57 1nks h ASP 143 Cb 0.92 -0.00 -0.07 0.00 -0.83 0.00 0.00 39.33 39.34 1nks h ASP 143 CO 0.00 0.84 2.92 -1.22 -1.03 0.00 0.00 179.24 180.75 1nks n TYR 144 N -3.55 2.72 -0.13 4.15 4.02 -1.26 -4.65 117.16 118.46 1nks n TYR 144 Ca -0.01 -2.93 -0.12 0.00 -0.01 0.00 0.00 57.90 54.84 1nks n TYR 144 Cb 0.80 -2.17 -0.02 0.00 -0.02 0.00 0.00 39.34 37.93 1nks n TYR 144 CO 0.00 0.00 0.00 0.66 -1.01 0.00 0.00 176.86 176.51 1nks h SER 145 N 5.11 0.84 -4.08 7.72 4.64 -1.91 -3.47 113.55 122.39 1nks h SER 145 Ca 0.69 -0.41 -0.35 0.00 -0.47 0.00 0.00 61.79 61.26 1nks h SER 145 Cb 0.39 -0.23 -0.09 0.00 -0.31 0.00 0.00 62.40 62.16 1nks h SER 145 CO 1.66 1.06 -0.34 -0.90 -0.87 0.00 0.00 176.83 177.44 1nks n ASP 146 N -4.25 -0.54 -0.21 4.97 5.75 -1.26 -5.07 116.55 115.94 1nks n ASP 146 Ca -0.02 -2.61 -0.07 0.00 -0.01 0.00 0.00 54.79 52.08 1nks n ASP 146 Cb 0.42 1.25 0.03 0.00 -1.03 0.00 0.00 41.12 41.79 1nks n ASP 146 CO 0.00 0.00 0.00 -0.33 -0.11 0.00 0.00 177.20 176.76 1nks h GLU 147 N 0.00 0.85 -0.45 0.11 5.08 -1.91 -3.00 114.58 115.26 1nks h GLU 147 Ca -0.17 -0.14 0.06 0.00 -1.00 0.00 0.00 59.36 58.11 1nks h GLU 147 Cb 0.88 -0.15 -0.05 0.00 0.50 0.00 0.00 28.75 29.93 1nks h GLU 147 CO 0.25 0.70 0.14 0.77 -1.00 0.00 0.00 179.01 179.88 1nks h SER 148 N 0.79 0.12 -0.53 1.42 0.02 -1.98 0.42 113.55 113.82 1nks h SER 148 Ca 0.20 0.06 -0.01 0.00 -0.84 0.00 0.00 61.79 61.19 1nks h SER 148 Cb 0.15 0.06 -0.03 0.00 0.14 0.00 0.00 62.40 62.72 1nks h SER 148 CO -0.02 0.10 0.29 0.58 -1.14 0.00 0.00 176.83 176.64 1nks h VAL 149 N 0.30 1.18 -0.21 2.27 2.07 -1.91 -1.26 116.25 118.69 1nks h VAL 149 Ca 0.22 -0.48 -0.17 0.00 0.82 0.00 0.00 66.70 67.08 1nks h VAL 149 Cb 0.23 0.44 0.00 0.00 -1.52 0.00 0.00 31.29 30.45 1nks h VAL 149 CO -0.24 0.20 -0.55 0.40 0.02 0.00 0.00 177.57 177.40 1nks h ILE 150 N 0.78 1.30 0.12 4.57 2.04 -0.98 -1.93 117.51 123.41 1nks h ILE 150 Ca 0.20 -1.77 -0.01 0.00 1.00 0.00 0.00 64.86 64.29 1nks h ILE 150 Cb 0.05 1.85 0.00 0.00 -0.74 0.00 0.00 36.82 37.99 1nks h ILE 150 CO -0.03 0.56 -0.06 0.25 0.00 0.00 0.00 178.15 178.87 1nks h LEU 151 N 0.46 -0.13 -0.28 1.44 7.12 0.14 -1.44 115.31 122.62 1nks h LEU 151 Ca -0.01 -0.02 0.06 0.00 0.13 0.00 0.00 57.88 58.05 1nks h LEU 151 Cb 1.17 0.03 -0.07 0.00 -0.53 0.00 0.00 40.66 41.27 1nks h LEU 151 CO 0.12 -0.07 -0.16 -0.08 -0.13 0.00 0.00 178.44 178.12 1nks h GLU 152 N -0.18 -0.13 -0.97 1.25 4.81 -1.26 -0.38 114.58 117.71 1nks h GLU 152 Ca -0.02 0.01 0.03 0.00 -0.13 0.00 0.00 59.36 59.25 1nks h GLU 152 Cb 0.14 0.03 -0.05 0.00 0.63 0.00 0.00 28.75 29.50 1nks h GLU 152 CO 0.03 -0.09 0.64 1.15 -0.73 0.00 0.00 179.01 180.01 1nks h THR 153 N -0.13 1.19 -0.29 0.32 2.02 -1.14 -0.56 112.91 114.32 1nks h THR 153 Ca 0.15 -0.43 -0.00 0.00 0.77 0.00 0.00 66.41 66.90 1nks h THR 153 Cb 0.36 -0.17 -0.01 0.00 -1.74 0.00 0.00 68.15 66.59 1nks h THR 153 CO -0.36 0.23 0.16 0.40 0.37 0.00 0.00 175.52 176.32 1nks h ILE 154 N 1.25 1.12 -0.47 3.11 2.04 -0.02 -0.48 117.51 124.06 1nks h ILE 154 Ca 0.38 -0.31 -0.00 0.00 1.00 0.00 0.00 64.86 65.93 1nks h ILE 154 Cb -0.03 0.80 -0.02 0.00 -0.74 0.00 0.00 36.82 36.83 1nks h ILE 154 CO -0.11 0.12 0.28 0.78 0.00 0.00 0.00 178.15 179.22 1nks h ASN 155 N 0.35 0.56 -0.32 1.72 2.35 -0.52 -1.11 115.58 118.60 1nks h ASN 155 Ca 0.10 -0.05 -0.04 0.00 -0.55 0.00 0.00 56.30 55.75 1nks h ASN 155 Cb 0.05 -0.14 -0.02 0.00 0.05 0.00 0.00 38.32 38.26 1nks h ASN 155 CO -0.02 0.45 0.07 -0.26 -1.65 0.00 0.00 177.43 176.02 1nks h PHE 156 N 0.62 0.63 -0.44 1.19 0.04 -0.91 -1.03 116.94 117.05 1nks h PHE 156 Ca 0.17 -0.05 0.00 0.00 2.80 0.00 0.00 57.97 60.88 1nks h PHE 156 Cb -0.01 -0.19 -0.02 0.00 2.20 0.00 0.00 35.95 37.93 1nks h PHE 156 CO -0.03 0.57 0.28 0.00 -0.60 0.00 0.00 178.31 178.53 1nks h ALA 157 N 1.48 0.56 -0.05 2.45 0.00 -0.58 0.42 119.26 123.53 1nks h ALA 157 Ca 0.13 -0.05 -0.00 0.00 0.00 0.00 0.00 54.91 54.99 1nks h ALA 157 Cb 0.28 -0.18 -0.00 0.00 0.00 0.00 0.00 17.79 17.89 1nks h ALA 157 CO 0.00 0.03 0.02 0.00 0.00 0.00 0.00 179.25 179.31 1nks h ARG 158 N 0.59 0.07 -0.45 0.00 3.08 -0.61 0.16 114.38 117.21 1nks h ARG 158 Ca 0.16 -0.01 0.04 0.00 0.07 0.00 0.00 59.98 60.24 1nks h ARG 158 Cb -0.03 -0.01 -0.04 0.00 0.08 0.00 0.00 29.97 29.96 1nks h ARG 158 CO -0.03 0.20 0.21 1.88 -1.07 0.00 0.00 179.97 181.15 1nks h TYR 159 N -0.07 0.38 -0.40 3.04 0.05 -0.88 -0.46 116.97 118.63 1nks h TYR 159 Ca 0.02 0.02 -0.14 0.00 0.05 0.00 0.00 58.73 58.67 1nks h TYR 159 Cb 0.15 -0.10 -0.01 0.00 1.01 0.00 0.00 36.73 37.78 1nks h TYR 159 CO -0.02 0.17 -0.30 0.00 -1.05 0.00 0.00 178.16 176.96 1nks h ALA 160 N 1.26 0.58 -0.45 3.88 0.00 -0.72 -1.86 119.26 121.95 1nks h ALA 160 Ca 0.20 -0.42 -0.13 0.00 0.00 0.00 0.00 54.91 54.56 1nks h ALA 160 Cb 0.14 -0.13 -0.01 0.00 0.00 0.00 0.00 17.79 17.79 1nks h ALA 160 CO -0.16 0.63 -0.22 0.00 0.00 0.00 0.00 179.25 179.49 1nks h ALA 161 N 0.79 0.75 -0.81 0.00 0.00 -0.74 0.12 119.26 119.38 1nks h ALA 161 Ca 0.08 -0.39 -0.03 0.00 0.00 0.00 0.00 54.91 54.57 1nks h ALA 161 Cb 0.89 -0.16 -0.04 0.00 0.00 0.00 0.00 17.79 18.48 1nks h ALA 161 CO 0.08 0.66 0.38 1.15 0.00 0.00 0.00 179.25 181.52 1nks h THR 162 N 0.80 1.25 -0.30 0.00 2.02 -1.03 0.41 112.91 116.07 1nks h THR 162 Ca 0.11 -0.72 -0.04 0.00 0.77 0.00 0.00 66.41 66.53 1nks h THR 162 Cb 0.78 0.22 -0.01 0.00 -1.74 0.00 0.00 68.15 67.40 1nks h THR 162 CO 0.06 0.31 0.04 0.00 0.37 0.00 0.00 175.52 176.30 1nks h ALA 163 N 1.26 0.39 -0.90 6.16 0.00 -0.90 0.17 119.26 125.44 1nks h ALA 163 Ca 0.28 -0.20 0.07 0.00 0.00 0.00 0.00 54.91 55.06 1nks h ALA 163 Cb 0.13 -0.11 -0.07 0.00 0.00 0.00 0.00 17.79 17.74 1nks h ALA 163 CO -0.03 0.09 0.56 0.77 0.00 0.00 0.00 179.25 180.64 1nks h SER 164 N 0.31 0.87 -0.55 0.00 0.02 -0.09 -1.01 113.55 113.11 1nks h SER 164 Ca 0.09 0.02 -0.03 0.00 -0.84 0.00 0.00 61.79 61.03 1nks h SER 164 Cb 0.35 -0.16 -0.02 0.00 0.14 0.00 0.00 62.40 62.71 1nks h SER 164 CO 0.01 0.55 0.21 0.00 -1.14 0.00 0.00 176.83 176.45 1nks h ALA 165 N 1.43 0.71 -0.88 3.77 0.00 0.32 -2.20 119.26 122.41 1nks h ALA 165 Ca 0.40 -0.17 -0.02 0.00 0.00 0.00 0.00 54.91 55.12 1nks h ALA 165 Cb 0.21 -0.21 -0.04 0.00 0.00 0.00 0.00 17.79 17.74 1nks h ALA 165 CO -0.19 0.33 0.45 0.28 0.00 0.00 0.00 179.25 180.13 1nks h VAL 166 N 0.75 1.26 -0.35 0.00 2.07 -0.06 0.37 116.25 120.28 1nks h VAL 166 Ca 0.18 -0.69 -0.03 0.00 0.82 0.00 0.00 66.70 66.98 1nks h VAL 166 Cb 0.21 0.10 -0.01 0.00 -1.52 0.00 0.00 31.29 30.07 1nks h VAL 166 CO -0.01 0.30 0.09 -0.07 0.02 0.00 0.00 177.57 177.90 1nks h LEU 167 N 1.24 0.52 0.00 2.57 3.38 -0.80 -3.32 115.31 118.90 1nks h LEU 167 Ca 0.31 -0.22 -0.05 0.00 0.09 0.00 0.00 57.88 58.00 1nks h LEU 167 Cb 0.07 -0.14 -0.01 0.00 0.09 0.00 0.00 40.66 40.67 1nks h LEU 167 CO -0.04 0.61 -0.75 0.00 0.09 0.00 0.00 178.44 178.34 1nks h ALA 168 N 0.93 0.68 0.00 1.53 0.00 -1.24 -3.48 119.26 117.69 1nks h ALA 168 Ca 0.11 -0.25 0.00 0.00 0.00 0.00 0.00 54.91 54.77 1nks h ALA 168 Cb 0.28 0.04 0.00 0.00 0.00 0.00 0.00 17.79 18.12 1nks h ALA 168 CO -0.00 0.29 0.00 0.41 0.00 0.00 0.00 179.25 179.95 1nks n GLY 169 N 1.21 0.58 3.98 0.00 0.00 0.13 -4.94 105.19 106.14 1nks n GLY 169 Ca -0.01 -0.57 -0.23 0.00 0.00 0.00 0.00 46.02 45.21 1nks n GLY 169 CO 0.00 0.00 0.00 -1.35 0.00 0.00 0.00 173.32 171.97 1nks s SER 170 N -2.52 4.62 0.29 1.61 1.04 -0.93 -5.01 113.70 112.80 1nks s SER 170 Ca 0.00 -0.15 0.07 0.00 0.48 0.00 0.00 55.95 56.35 1nks s SER 170 Cb 0.00 -0.39 -0.03 0.00 0.10 0.00 0.00 66.02 65.70 1nks s SER 170 CO 0.00 -1.66 0.32 0.42 0.98 0.00 0.00 173.24 173.30 1nks s THR 171 N -3.07 4.31 -0.14 2.02 -4.23 -0.65 -4.67 115.64 109.20 1nks s THR 171 Ca 0.63 -1.21 -0.00 0.00 -1.18 0.00 0.00 61.69 59.93 1nks s THR 171 Cb -0.07 -3.45 0.03 0.00 1.34 0.00 0.00 72.50 70.34 1nks s THR 171 CO 0.43 -0.26 -0.10 -0.69 -0.54 0.00 0.00 174.62 173.46 1nks s VAL 172 N -2.15 1.28 -0.17 2.29 1.01 -1.26 -0.98 120.40 120.41 1nks s VAL 172 Ca 0.38 -0.49 0.01 0.00 0.00 0.00 0.00 61.98 61.88 1nks s VAL 172 Cb -0.08 -1.27 0.02 0.00 0.00 0.00 0.00 36.38 35.05 1nks s VAL 172 CO 0.28 0.37 -0.19 -0.75 0.00 0.00 0.00 175.10 174.81 1nks s LYS 173 N 1.60 2.87 -0.10 2.72 2.36 -0.42 -4.98 119.74 123.79 1nks s LYS 173 Ca 0.04 -0.78 -0.26 0.00 -2.55 0.00 0.00 55.97 52.42 1nks s LYS 173 Cb -0.13 -2.48 -0.02 0.00 -1.05 0.00 0.00 37.83 34.15 1nks s LYS 173 CO -0.09 -0.20 0.84 0.08 1.55 0.00 0.00 175.35 177.53 1nks s VAL 174 N 1.28 4.92 -0.26 4.02 1.01 -1.26 -1.08 120.40 129.03 1nks s VAL 174 Ca 0.04 1.70 0.01 0.00 0.00 0.00 0.00 61.98 63.73 1nks s VAL 174 Cb -0.13 -4.16 0.07 0.00 0.00 0.00 0.00 36.38 32.16 1nks s VAL 174 CO -0.12 0.11 -0.02 -0.63 0.00 0.00 0.00 175.10 174.45 1nks s ILE 175 N 1.53 1.56 0.08 2.22 1.01 -0.80 -4.94 121.20 121.87 1nks s ILE 175 Ca 0.42 -1.43 -0.30 0.00 0.00 0.00 0.00 60.65 59.34 1nks s ILE 175 Cb -0.18 -1.92 -0.06 0.00 0.01 0.00 0.00 42.46 40.31 1nks s ILE 175 CO 0.18 -0.26 1.16 -0.69 0.00 0.00 0.00 174.94 175.32 1nks s VAL 176 N 1.34 4.08 -0.84 2.92 1.01 -1.26 -1.92 120.40 125.72 1nks s VAL 176 Ca -0.01 1.55 -0.15 0.00 0.00 0.00 0.00 61.98 63.37 1nks s VAL 176 Cb -0.19 -3.99 0.21 0.00 0.00 0.00 0.00 36.38 32.41 1nks s VAL 176 CO -0.09 0.15 0.81 0.21 0.00 0.00 0.00 175.10 176.19 1nks s ASN 177 N 0.80 6.75 0.24 3.32 2.47 -0.72 -4.43 114.94 123.37 1nks s ASN 177 Ca 0.56 -2.62 -0.31 0.00 0.42 0.00 0.00 52.86 50.91 1nks s ASN 177 Cb -0.29 -2.23 -0.12 0.00 -1.45 0.00 0.00 41.25 37.16 1nks s ASN 177 CO 0.30 -0.63 1.63 0.52 -3.72 0.00 0.00 177.10 175.20 1nks n VAL 178 N 4.15 0.50 -1.84 -5.21 0.31 -1.26 -4.82 118.33 110.16 1nks n VAL 178 Ca 0.15 -0.13 -0.42 0.00 -0.01 0.00 0.00 64.34 63.94 1nks n VAL 178 Cb 0.47 -1.89 -0.03 0.00 -0.91 0.00 0.00 33.84 31.49 1nks n VAL 178 CO 0.00 0.00 0.00 -0.70 -1.32 0.00 0.00 176.83 174.81 1nks s GLU 179 N 0.32 4.17 0.00 5.55 2.56 -1.26 -2.74 118.70 127.30 1nks s GLU 179 Ca 0.70 2.43 0.00 0.00 0.00 0.00 0.00 54.97 58.10 1nks s GLU 179 Cb -0.53 -3.69 0.00 0.00 2.00 0.00 0.00 34.13 31.91 1nks s GLU 179 CO 0.41 -0.80 0.00 0.41 -0.56 0.00 0.00 175.26 174.72 1nks n GLY 180 N 4.14 2.86 2.83 -1.50 0.00 -1.26 -5.01 105.19 107.26 1nks n GLY 180 Ca 0.17 0.00 -0.13 0.00 0.00 0.00 0.00 46.02 46.06 1nks n GLY 180 CO 0.00 0.00 0.00 -0.35 0.00 0.00 0.00 173.32 172.97 1nks s ASP 181 N -0.65 0.99 0.50 1.61 2.15 -1.11 -5.00 116.67 115.16 1nks s ASP 181 Ca 0.00 -0.73 0.22 0.00 0.43 0.00 0.00 52.55 52.47 1nks s ASP 181 Cb 0.00 0.80 1.30 0.00 -0.30 0.00 0.00 42.92 44.72 1nks s ASP 181 CO 0.00 -0.35 2.05 -0.65 -0.17 0.00 0.00 175.17 176.05 1nks h PRO 182 N 8.00 0.00 0.00 4.34 0.11 -1.95 -3.04 132.00 139.46 1nks h PRO 182 Ca -0.08 0.00 -0.04 0.00 0.11 0.00 0.00 66.00 65.99 1nks h PRO 182 Cb 1.09 0.00 -0.01 0.00 0.11 0.00 0.00 31.00 32.20 1nks h PRO 182 CO 0.28 0.14 -0.17 0.66 -0.21 0.00 0.00 178.00 178.69 1nks h SER 183 N 0.00 0.00 -0.17 -2.05 4.64 -1.94 -2.55 113.55 111.48 1nks h SER 183 Ca -0.00 0.00 0.05 0.00 -0.47 0.00 0.00 61.79 61.37 1nks h SER 183 Cb 0.30 0.00 -0.06 0.00 -0.31 0.00 0.00 62.40 62.33 1nks h SER 183 CO 0.02 0.17 -0.22 0.40 -0.87 0.00 0.00 176.83 176.33 1nks h ILE 184 N 0.00 0.45 -0.26 0.95 2.04 -1.93 -0.31 117.51 118.46 1nks h ILE 184 Ca -0.00 0.00 -0.14 0.00 1.00 0.00 0.00 64.86 65.72 1nks h ILE 184 Cb 0.34 0.45 -0.01 0.00 -0.74 0.00 0.00 36.82 36.86 1nks h ILE 184 CO 0.02 0.00 -0.42 0.00 0.00 0.00 0.00 178.15 177.75 1nks h ALA 185 N 0.75 0.78 -0.11 1.87 0.00 -1.70 -2.41 119.26 118.44 1nks h ALA 185 Ca 0.11 -0.45 -0.08 0.00 0.00 0.00 0.00 54.91 54.49 1nks h ALA 185 Cb 0.43 -0.11 -0.01 0.00 0.00 0.00 0.00 17.79 18.10 1nks h ALA 185 CO -0.32 0.66 -0.29 0.00 0.00 0.00 0.00 179.25 179.30 1nks h ALA 186 N 1.02 1.31 -0.01 0.00 0.00 -1.08 -1.91 119.26 118.59 1nks h ALA 186 Ca 0.04 -0.32 -0.00 0.00 0.00 0.00 0.00 54.91 54.63 1nks h ALA 186 Cb 0.95 -0.08 -0.00 0.00 0.00 0.00 0.00 17.79 18.65 1nks h ALA 186 CO 0.09 0.47 -0.00 -0.91 0.00 0.00 0.00 179.25 178.90 1nks h ASN 187 N 0.18 0.02 -0.64 0.00 2.35 -0.84 -1.87 115.58 114.78 1nks h ASN 187 Ca 0.03 -0.31 0.13 0.00 -0.55 0.00 0.00 56.30 55.60 1nks h ASN 187 Cb 0.61 -0.01 -0.11 0.00 0.05 0.00 0.00 38.32 38.86 1nks h ASN 187 CO 0.04 0.33 -0.05 -0.33 -1.65 0.00 0.00 177.43 175.77 1nks h GLU 188 N -0.29 0.07 0.04 0.81 4.39 -1.20 0.26 114.58 118.67 1nks h GLU 188 Ca 0.00 -0.00 0.03 0.00 0.34 0.00 0.00 59.36 59.72 1nks h GLU 188 Cb 0.32 -0.02 -0.04 0.00 -0.10 0.00 0.00 28.75 28.91 1nks h GLU 188 CO 0.00 0.05 -0.24 0.82 -1.16 0.00 0.00 179.01 178.47 1nks h ILE 189 N 0.07 0.45 -0.71 3.13 2.04 -1.16 -0.03 117.51 121.31 1nks h ILE 189 Ca 0.33 0.00 0.00 0.00 1.00 0.00 0.00 64.86 66.19 1nks h ILE 189 Cb 0.54 0.45 -0.03 0.00 -0.74 0.00 0.00 36.82 37.03 1nks h ILE 189 CO -0.59 0.00 0.45 0.40 0.00 0.00 0.00 178.15 178.41 1nks h ILE 190 N -0.40 1.19 -0.70 -0.67 2.04 -0.35 -2.49 117.51 116.13 1nks h ILE 190 Ca 0.05 -0.38 0.03 0.00 1.00 0.00 0.00 64.86 65.56 1nks h ILE 190 Cb 0.46 0.18 -0.05 0.00 -0.74 0.00 0.00 36.82 36.68 1nks h ILE 190 CO -0.19 0.19 0.43 -0.09 0.00 0.00 0.00 178.15 178.50 1nks h ARG 191 N 0.96 0.82 0.00 2.37 9.65 -0.22 -2.52 114.38 125.44 1nks h ARG 191 Ca 0.26 -0.05 -0.03 0.00 -1.10 0.00 0.00 59.98 59.06 1nks h ARG 191 Cb -0.07 -0.18 -0.00 0.00 -1.39 0.00 0.00 29.97 28.32 1nks h ARG 191 CO -0.05 0.54 -0.13 0.77 2.80 0.00 0.00 179.97 183.90 1nks h SER 192 N 0.84 0.00 0.59 -3.80 0.02 -0.58 -2.35 113.55 108.26 1nks h SER 192 Ca 0.28 0.00 0.00 0.00 -0.84 0.00 0.00 61.79 61.23 1nks h SER 192 Cb 0.04 0.00 0.00 0.00 0.14 0.00 0.00 62.40 62.58 1nks h SER 192 CO -0.12 0.13 -0.26 0.23 -1.14 0.00 0.00 176.83 175.68 1nks n MET 193 N -3.57 0.22 0.00 3.45 2.81 -0.96 -5.02 117.12 114.05 1nks n MET 193 Ca -0.01 -0.09 0.00 0.00 -1.81 0.00 0.00 57.70 55.78 1nks n MET 193 Cb 0.27 -1.50 0.00 0.00 -0.71 0.00 0.00 33.22 31.28 1nks n MET 193 CO 0.00 0.00 0.00 1.63 1.51 0.00 0.00 175.97 179.11